| SpectraBase Spectrum ID |
3dX9af3Cl5w |
| Name |
4-(3-Chloro-phenyl)-1-(1-phenyl-ethyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.123735888 u |
| Formula |
C23H22ClNO4 |
| InChI |
InChI=1S/C23H22ClNO4/c1-15(16-8-5-4-6-9-16)25-13-19(22(26)28-2)21(20(14-25)23(27)29-3)17-10-7-11-18(24)12-17/h4-15,21H,1-3H3 |
| InChIKey |
NAYPPQJPPAZGRK-UHFFFAOYSA-N |
| Molecular Weight |
411.885 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CN(C1)C(C1=CC=CC=C1)C)C1=CC(Cl)=CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887143 |
